N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide

C21H22Cl2N4O3 — CID 55787027

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H22Cl2N4O3/c1-2-9-26(13-19(28)25-18-7-6-15(22)12-17(18)23)20(29)14-4-3-5-16(11-14)27-10-8-24-21(27)30/h3-7,11-12H,2,8-10,13H2,1H3,(H,24,30)(H,25,28)
InChIKeyAMJNSEYYNMDNIS-UHFFFAOYSA-N
MW449.34 g/mol
LogP4.01
Rot. Bonds7

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide (PubChem CID 55787027) has the molecular formula C21H22Cl2N4O3 and a molecular weight of 449.34 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
PubChem CID55787027
Molecular FormulaC21H22Cl2N4O3
Molecular Weight449.34 g/mol
Exact Mass448.11
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H22Cl2N4O3/c1-2-9-26(13-19(28)25-18-7-6-15(22)12-17(18)23)20(29)14-4-3-5-16(11-14)27-10-8-24-21(27)30/h3-7,11-12H,2,8-10,13H2,1H3,(H,24,30)(H,25,28)
InChIKeyAMJNSEYYNMDNIS-UHFFFAOYSA-N
XLogP4.01
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
CID 55755026
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide
CID 60572761
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
CID 31185170

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide (CID 55787027) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide?
The InChIKey is AMJNSEYYNMDNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3/c1-2-9-26(13-19(28)25-18-7-6-15(22)12-17(18)23)20(29)14-4-3-5-16(11-14)27-10-8-24-21(27)30/h3-7,11-12H,2,8-10,13H2,1H3,(H,24,30)(H,25,28).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide has a molecular weight of 449.34 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide is sourced from PubChem (CID 55787027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).